80 citations · 111 across the 4 of their papers we have counts for
4 papers
Efficient step-merged quantum imaginary time evolution algorithm for quantum chemistry
Niladri Gomes, Feng Zhang, Noah F. Berthusen +4
We develop a resource efficient step-merged quantum imaginary time evolution approach (smQITE) to solve for the ground state of a Hamiltonian on quantum computers. This heuristic m…
Ground state properties of one-dimensional and two-dimensional Hubbard model from Gutzwiller conjugate gradient minimization theory
Zhuo Ye, Feng Zhang, Yong-Xin Yao +2
We introduce Gutzwiller conjugate gradient minimization (GCGM) theory, an ab initio quantum many-body theory for computing the ground-state properties of infinite systems. GCGM use…
Interplay of spin-orbit and entropic effects in Cerium
Nicola Lanatà, Yong-Xin Yao, Cai-Zhuang Wang +2
We perform first-principle calculations of elemental cerium and compute its pressure-temperature phase diagram, finding good quantitative agreement with the experiments. Our calcul…
Efficient and accurate treatment of electron correlations from first-principles
Y. X. Yao, J. Liu, C. Liu +3
We present an efficient \textit{ab initio} method for calculating the electronic structure and total energy of strongly correlated electron systems. The method extends the traditio…